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DL-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol
SpectraBase Compound ID 9IZeh7Rqylt
InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
InChIKey SFLSHLFXELFNJZ-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JlFkeHvr5XX
Name Norepinephrine
CAS Registry Number 51-41-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-190.00]
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Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
InChIKey SFLSHLFXELFNJZ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NCC(C1=CC=C(C(=C1)O)O)O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD